Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.74 |
| ▸ | LMNA | P02545 | 2/20 | 0.69 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.58 |
| ▸ | MAPT | P10636 | 4/20 | 0.58 |
| ▸ | NPC1 | O15118 | 4/20 | 0.58 |
| ▸ | RAB9A | P51151 | 4/20 | 0.58 |
| ▸ | HTT | P42858 | 2/20 | 0.58 |
| ▸ | MEN1 | O00255 | 4/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.58 |
| ▸ | BCL6 | P41182 | 1/20 | 0.56 |
| ▸ | CFTR | P13569 | 2/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.53 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | CA4 | P22748 | 1/20 | 0.51 |
| ▸ | CA6 | P23280 | 1/20 | 0.51 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL14869446 | 1.00 | GAA (0.74) | GAALMNAKMT2AMAPTNPC1 | |
| SCHEMBL12634410 | 0.90 | GAA (0.81) | GAALMNAKMT2AMAPTNPC1 | |
| SCHEMBL2253957 | 0.90 | GAA (0.69) | GAALMNAKMT2AMAPTNPC1 | |
| SCHEMBL14869417 | 0.90 | GAA (0.81) | GAALMNAKMT2AMAPTNPC1 | |
| SCHEMBL183118 | 0.86 | NPC1 (0.68) | GAALMNAKMT2AMAPTNPC1 | |
| SCHEMBL29900287 | 0.86 | NPC1 (0.68) | GAALMNAKMT2AMAPTNPC1 | |
| Hydrochloric Acid SCHEMBL9457998 | 0.84 | NPC1 (0.66) | GAAKMT2AMAPTNPC1RAB9A | |
| Arsenic SCHEMBL28153612 | 0.84 | NPC1 (0.66) | GAALMNAKMT2AMAPTNPC1 | |
| SCHEMBL4569978 | 0.83 | LMNA (0.71) | GAALMNAKMT2AMAPTMEN1 | |
| SCHEMBL29079539 | 0.82 | MAPT (0.64) | GAAKMT2AMAPTNPC1RAB9A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108191774-B | Heterocyclic compound, preparation method and application thereof | 中国药科大学 | 2022-05-24 | — | — | CN | disclosed |